2-(3,4,5-trimethoxyphenyl)-4-[3-[4-[3-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]propyl]piperazin-1-yl]propyl]-1,3-thiazole

C34H44N4O6S2 — CID 10146456

About 2-(3,4,5-trimethoxyphenyl)-4-[3-[4-[3-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]propyl]piperazin-1-yl]propyl]-1,3-thiazole

2-(3,4,5-trimethoxyphenyl)-4-[3-[4-[3-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]propyl]piperazin-1-yl]propyl]-1,3-thiazole (PubChem CID 10146456) has the molecular formula C34H44N4O6S2 and a molecular weight of 668.88 g/mol. Its IUPAC name is 2-(3,4,5-trimethoxyphenyl)-4-[3-[4-[3-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]propyl]piperazin-1-yl]propyl]-1,3-thiazole.

Molecular Properties

• Compound Name: 2-(3,4,5-trimethoxyphenyl)-4-[3-[4-[3-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]propyl]piperazin-1-yl]propyl]-1,3-thiazole
• PubChem CID: 10146456
• Molecular Formula: C34H44N4O6S2
• Molecular Weight: 668.88 g/mol
• Exact Mass: 668.27
• IUPAC Name: 2-(3,4,5-trimethoxyphenyl)-4-[3-[4-[3-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]propyl]piperazin-1-yl]propyl]-1,3-thiazole
• SMILES: COc1cc(-c2nc(CCCN3CCN(CCCc4csc(-c5cc(OC)c(OC)c(OC)c5)n4)CC3)cs2)cc(OC)c1OC
• InChI: InChI=1S/C34H44N4O6S2/c1-39-27-17-23(18-28(40-2)31(27)43-5)33-35-25(21-45-33)9-7-11-37-13-15-38(16-14-37)12-8-10-26-22-46-34(36-26)24-19-29(41-3)32(44-6)30(20-24)42-4/h17-22H,7-16H2,1-6H3
• InChIKey: RRGWARXHGLNZCQ-UHFFFAOYSA-N
• XLogP: 6.17
• TPSA: 87.64 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 16
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	668.88
LogP ≤ 5	6.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 2-(3,4,5-trimethoxyphenyl)-4-[3-[4-[3-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]propyl]piperazin-1-yl]propyl]-1,3-thiazole?

The IUPAC name of 2-(3,4,5-trimethoxyphenyl)-4-[3-[4-[3-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]propyl]piperazin-1-yl]propyl]-1,3-thiazole (CID 10146456) is 2-(3,4,5-trimethoxyphenyl)-4-[3-[4-[3-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]propyl]piperazin-1-yl]propyl]-1,3-thiazole.

What is the SMILES notation for 2-(3,4,5-trimethoxyphenyl)-4-[3-[4-[3-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]propyl]piperazin-1-yl]propyl]-1,3-thiazole?

The canonical SMILES for 2-(3,4,5-trimethoxyphenyl)-4-[3-[4-[3-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]propyl]piperazin-1-yl]propyl]-1,3-thiazole is COc1cc(-c2nc(CCCN3CCN(CCCc4csc(-c5cc(OC)c(OC)c(OC)c5)n4)CC3)cs2)cc(OC)c1OC.

What is the InChIKey of 2-(3,4,5-trimethoxyphenyl)-4-[3-[4-[3-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]propyl]piperazin-1-yl]propyl]-1,3-thiazole?

The InChIKey is RRGWARXHGLNZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H44N4O6S2/c1-39-27-17-23(18-28(40-2)31(27)43-5)33-35-25(21-45-33)9-7-11-37-13-15-38(16-14-37)12-8-10-26-22-46-34(36-26)24-19-29(41-3)32(44-6)30(20-24)42-4/h17-22H,7-16H2,1-6H3.

What are the key properties of 2-(3,4,5-trimethoxyphenyl)-4-[3-[4-[3-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]propyl]piperazin-1-yl]propyl]-1,3-thiazole?

2-(3,4,5-trimethoxyphenyl)-4-[3-[4-[3-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]propyl]piperazin-1-yl]propyl]-1,3-thiazole has a molecular weight of 668.88 g/mol, XLogP of 6.17, 16 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,4,5-trimethoxyphenyl)-4-[3-[4-[3-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]propyl]piperazin-1-yl]propyl]-1,3-thiazole is sourced from PubChem (CID 10146456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).